update: add atom to material

Exabyte-io · Aug 15, 2024 · 312786a · 312786a
1 parent 365bfd0
commit 312786a
Showing 1 changed file with 5 additions and 0 deletions.
diff --git a/src/py/mat3ra/made/material.py b/src/py/mat3ra/made/material.py
@@ -95,3 +95,8 @@ def set_coordinates(self, coordinates: List[List[float]]) -> None:
         new_basis = self.basis.copy()
         new_basis.coordinates.values = coordinates
         self.basis = new_basis
+
+    def add_atom(self, element: str, coordinate: List[float]) -> None:
+        new_basis = self.basis.copy()
+        new_basis.add_atom(element, coordinate)
+        self.basis = new_basis